General Information of the Compound
Compound ID
CP0956167
Compound Name
6-(8-fluoro-2-naphthyl)-3-[2-methyl-1-(2-oxo-1-piperidyl)propyl]-1H-pyridin-2-one
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Structure
Formula
C24H25FN2O2
Molecular Weight
392.474
Canonical SMILES
CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCC1=O
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InChI
InChI=1S/C24H25FN2O2/c1-15(2)23(27-13-4-3-8-22(27)28)18-11-12-21(26-24(18)29)17-10-9-16-6-5-7-20(25)19(16)14-17/h5-7,9-12,14-15,23H,3-4,8,13H2,1-2H3,(H,26,29)
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InChIKey
PZNKQEOIVWPVTA-UHFFFAOYSA-N
Physicochemical Property
logP
5.0438
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
53.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 137477747
ChEMBL ID
CHEMBL4849811
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
2
Ki = 6.4 nM
   TI
   LI
   LO
   TS